SCHEMBL2432672

SCHEMBL2432672

Cn1cc(C(=O)Nc2cc(F)c(CC(=O)O)cc2Cl)c2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.52
ITGA4 P13612 7/20 0.52
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
NR4A2 P43354 1/20 0.39
PHGDH O43175 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PTGDR Q13258 2/20 0.38
MAOB P27338 1/20 0.37
HASPIN Q8TF76 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2429977 0.92 ITGB1 (0.50) ITGB1ITGA4AKR1C3AKR1C2POLB
SCHEMBL71415 0.89 ITGB1 (0.60) ITGB1ITGA4MAPTMAOB
SCHEMBL5708295 0.89 ITGB1 (0.49) ITGB1ITGA4AKR1C3AKR1C2
SCHEMBL14491723 0.88 ITGB1 (0.51) ITGB1ITGA4POLBTP53MAPT
SCHEMBL92363 0.84 ITGB1 (0.42) ITGB1ITGA4POLBNR4A2TP53
SCHEMBL14591769 0.82 ITGB1 (0.47) ITGB1ITGA4POLBTP53MAPT
SCHEMBL2432198 0.82 ITGB1 (0.48) ITGB1ITGA4POLBTP53MAPT
SCHEMBL91539 0.81 MAPT (0.42) ITGB1ITGA4POLBNR4A2TP53
SCHEMBL2433507 0.81 ITGB1 (0.41) ITGB1ITGA4POLBNR4A2TP53
SCHEMBL14491702 0.80 ITGB1 (0.49) ITGB1ITGA4POLBTP53MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885AKR1C3 1549/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885AKR1C3 471/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.